bmse000306 (1R,3R,4R,5R)-(-)-Quinic acid at BMRB

(1R,3R,4R,5R)-(-)-Quinic acid

(1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid

Chinasaure

Quinic acid

Chinic acid

Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1theta-(1alpha,3alpha,4alpha,5beta))-

D-QUINIC ACID

Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1R-(1-alpha,3-alpha,4-alpha,5-beta))-

1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid (1R-(1alpha,3alpha,4alpha,5beta)

D-Quinic acid

1L-1(OH),3,4/5-tetrahydroxycyclohexanecarboxylic acid

Quinate

InCHi String:
InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5?,7?/m1/s1

canonical SMILES:
C1C(C(C(CC1(C(=O)O)O)O)O)O
isomeric SMILES:
C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
(3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid

PUBCHEM iupac CAS NAME
(3R,5R)-1,3,4,5-tetrahydroxy-1-cyclohexanecarboxylic acid

PubChem Substance (SID):   85165108   11375472   11369431
PubChem Compound (CID):   6508
KEGG: Compound ID   C00296
CAS Registry IDs:   36413-60-2   77-95-2
PDB Chemical Component   QIC
Miscellaneous Databases and IDs:   CambridgeSoft Corporation 8281   DTP/NCI 1115   NIAID 029766   MTDP NSC59258   ChemIDplus 000077952   ChEBI CHEBI:17521   EINECS 201-072-8   ChemBank Spectrum_001413

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.